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Citation: Sun Hong-Mei, Xie Qian, Xie Gui-Ying, Zhou Jia-Ju, Xu Zhi-Hong, Li Zheng-Ming, Jia Guo-Feng, Wang Ling-Xiu. The 3D Biophore Model of Sulfonylurea Herbicides Using APEX-3D Method[J]. Acta Physico-Chimica Sinica, ;1995, 11(09): 773-776. doi: 10.3866/PKU.WHXB19950902 shu

The 3D Biophore Model of Sulfonylurea Herbicides Using APEX-3D Method

1.
Laboratory of Computer Chemistry,Institute of Chemical Metallurgy,Chinese Academy of Sciences,Beijing 100080

Received Date: 17 May 1995
Available Online: 15 September 1995

The biophore model of sulfonylurea herbicides (the training set contains 31 compounds) was obtained by using the advanced APEX-3D method. On the basis of the identilied biophore model, the activities of some known ALS inhibitors were predicted. Most of the predictions were in od agreement with experiments. The quality of the biophore model has been proved to be reliable. This research suggests a new approach for designing the new series of ALS inhibitors.
- Sulfonylurea herbicides,
- Biophore model,
- Acetolactate synthase,
- APEX(Activity Prediction Expert System)-3D
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